CID 138989378

2229162-04-1

Structural Information

Molecular Formula
C6H9FN2O2S
SMILES
C1=CN(N=C1)CCCS(=O)(=O)F
InChI
InChI=1S/C6H9FN2O2S/c7-12(10,11)6-2-5-9-4-1-3-8-9/h1,3-4H,2,5-6H2
InChIKey
JMTVSFBEALZIRJ-UHFFFAOYSA-N
Compound name
3-pyrazol-1-ylpropane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.03688 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.04416 136.9
[M+Na]+ 215.02610 146.9
[M-H]- 191.02960 137.1
[M+NH4]+ 210.07070 156.2
[M+K]+ 231.00004 144.7
[M+H-H2O]+ 175.03414 129.8
[M+HCOO]- 237.03508 153.7
[M+CH3COO]- 251.05073 177.0
[M+Na-2H]- 213.01155 140.7
[M]+ 192.03633 139.6
[M]- 192.03743 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.